==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-JAN-10 3LC1 . COMPND 2 MOLECULE: GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR S.MUKHERJEE,D.DUTTA,B.SAHA,A.K.DAS . 1340 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47086.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 929 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 180 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 167 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 125 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 142 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 253 18.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 0 0 0 8 7 1 0 0 0 1 2 5 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 8 12 0 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 4 1 11 4 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 P M 0 0 214 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 171.5 -35.0 -4.1 5.4 2 2 P A - 0 0 35 1,-0.1 2,-0.3 25,-0.1 25,-0.2 -0.278 360.0-101.3 -60.4 144.6 -31.4 -3.3 6.4 3 3 P V E -a 27 0A 30 23,-3.3 25,-2.4 1,-0.1 2,-0.6 -0.533 37.4-129.9 -66.3 125.0 -28.6 -5.2 4.7 4 4 P K E -a 28 0A 41 -2,-0.3 87,-2.9 85,-0.3 88,-1.6 -0.761 29.3-170.1 -88.7 118.1 -27.4 -7.9 7.1 5 5 P V E -ab 29 92A 0 23,-3.1 25,-2.6 -2,-0.6 26,-1.2 -0.850 13.9-165.2-111.3 139.7 -23.7 -7.9 7.6 6 6 P A E -ab 31 93A 0 86,-1.8 88,-2.6 -2,-0.4 2,-0.6 -0.982 13.9-146.4-118.1 135.3 -21.3 -10.3 9.3 7 7 P I E -ab 32 94A 0 24,-2.3 26,-2.3 -2,-0.4 2,-0.7 -0.922 6.2-161.0-103.4 118.1 -17.8 -9.2 10.1 8 8 P N E S+ab 33 95A 2 86,-2.9 88,-3.2 -2,-0.6 89,-0.2 -0.870 76.0 25.1 -97.1 109.5 -15.1 -12.0 9.9 9 9 P G - 0 0 5 24,-2.8 2,-1.0 -2,-0.7 5,-0.3 0.696 67.7-151.5 97.2 93.7 -12.2 -10.8 11.9 10 10 P F + 0 0 1 23,-0.4 -1,-0.1 4,-0.2 24,-0.1 -0.359 58.1 118.6 -91.8 51.5 -13.0 -8.3 14.6 11 11 P G S > S- 0 0 19 -2,-1.0 4,-2.9 85,-0.3 5,-0.4 0.097 85.3 -53.4 -93.7-149.6 -9.5 -6.7 14.4 12 12 P R H > S+ 0 0 33 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.967 139.1 34.7 -59.1 -55.0 -8.5 -3.1 13.4 13 13 P I H > S+ 0 0 34 1,-0.2 4,-2.6 83,-0.2 -1,-0.2 0.948 120.1 49.8 -67.9 -47.8 -10.4 -3.0 10.1 14 14 P G H > S+ 0 0 1 82,-0.3 4,-2.1 -5,-0.3 -1,-0.2 0.870 113.5 45.1 -57.3 -42.8 -13.3 -5.1 11.3 15 15 P R H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.898 115.1 47.1 -69.7 -41.6 -13.9 -3.1 14.5 16 16 P L H X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.4 -2,-0.2 0.865 110.7 53.1 -66.9 -33.8 -13.6 0.2 12.7 17 17 P A H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.926 108.4 50.8 -65.7 -44.2 -15.9 -1.1 10.0 18 18 P F H X S+ 0 0 1 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.931 111.9 46.3 -54.6 -51.4 -18.4 -2.0 12.8 19 19 P R H X S+ 0 0 31 -4,-2.5 4,-0.6 1,-0.2 3,-0.5 0.935 113.6 48.8 -56.9 -48.7 -18.1 1.6 14.2 20 20 P R H >< S+ 0 0 47 -4,-2.9 3,-1.0 1,-0.2 4,-0.2 0.865 105.7 57.7 -60.2 -39.3 -18.5 3.1 10.8 21 21 P I H >< S+ 0 0 2 -4,-2.6 3,-1.3 1,-0.3 6,-0.3 0.813 97.2 61.7 -63.4 -31.0 -21.5 0.9 10.0 22 22 P Q H 3< S+ 0 0 65 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.788 103.1 52.4 -63.0 -26.2 -23.3 2.4 13.1 23 23 P E T << S+ 0 0 135 -3,-1.0 2,-0.5 -4,-0.6 -1,-0.2 0.500 101.0 73.8 -85.9 -5.0 -23.0 5.7 11.3 24 24 P V S X S- 0 0 44 -3,-1.3 3,-1.0 -4,-0.2 2,-0.1 -0.934 73.1-144.1-120.2 115.4 -24.6 4.4 8.1 25 25 P E T 3 S+ 0 0 194 -2,-0.5 3,-0.1 1,-0.2 -2,-0.0 -0.425 83.6 39.0 -73.5 149.2 -28.4 3.7 7.9 26 26 P G T 3 S+ 0 0 45 1,-0.2 -23,-3.3 -2,-0.1 2,-0.4 0.204 100.1 87.5 95.3 -16.0 -29.5 0.6 5.8 27 27 P L E < -a 3 0A 18 -3,-1.0 2,-0.4 -6,-0.3 -1,-0.2 -0.942 52.9-178.5-115.4 140.6 -26.6 -1.5 7.0 28 28 P E E -a 4 0A 84 -25,-2.4 -23,-3.1 -2,-0.4 2,-0.8 -0.973 23.2-142.0-141.4 122.7 -26.7 -3.6 10.1 29 29 P V E +a 5 0A 9 -2,-0.4 -23,-0.2 -25,-0.2 3,-0.1 -0.766 27.3 169.0 -81.4 113.5 -23.9 -5.8 11.6 30 30 P V E + 0 0 26 -25,-2.6 43,-2.2 -2,-0.8 2,-0.3 0.659 60.1 24.7 -99.4 -18.9 -25.8 -8.9 12.9 31 31 P A E -ac 6 73A 0 -26,-1.2 -24,-2.3 41,-0.2 2,-0.3 -0.997 55.3-164.1-153.2 148.7 -22.8 -11.1 13.7 32 32 P V E -ac 7 74A 0 41,-2.7 43,-2.0 -2,-0.3 2,-0.4 -0.988 7.5-167.8-135.1 138.9 -19.1 -11.0 14.5 33 33 P N E +ac 8 75A 4 -26,-2.3 -24,-2.8 -2,-0.3 -23,-0.4 -0.992 22.7 132.8-130.2 139.8 -16.5 -13.9 14.3 34 34 P D - 0 0 20 41,-1.9 43,-0.2 -2,-0.4 63,-0.0 -0.795 61.3 -92.2-158.2-158.8 -13.0 -14.0 15.7 35 35 P L S S+ 0 0 125 -2,-0.2 2,-0.1 41,-0.1 41,-0.1 0.127 95.9 61.6-117.5 18.6 -10.6 -16.2 17.7 36 36 P T S S- 0 0 25 39,-0.2 -2,-0.2 1,-0.1 2,-0.2 -0.404 82.4 -87.0-130.9-164.2 -11.3 -14.8 21.2 37 37 P D > - 0 0 89 -2,-0.1 4,-2.6 1,-0.0 5,-0.1 -0.578 37.6-100.4-113.6 179.1 -14.2 -14.4 23.6 38 38 P D H > S+ 0 0 36 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.860 116.3 58.7 -70.8 -37.3 -16.9 -11.8 24.3 39 39 P D H > S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.929 113.6 40.1 -53.2 -50.9 -15.2 -10.0 27.1 40 40 P M H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.930 114.6 51.7 -65.6 -50.2 -12.2 -9.3 24.8 41 41 P L H X S+ 0 0 3 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.931 113.5 44.9 -53.0 -51.0 -14.4 -8.4 21.7 42 42 P A H >X S+ 0 0 3 -4,-3.1 4,-2.5 1,-0.2 3,-0.6 0.932 112.8 50.8 -58.0 -48.3 -16.5 -5.9 23.7 43 43 P H H 3X S+ 0 0 7 -4,-2.0 4,-2.5 -5,-0.3 -2,-0.2 0.897 108.7 50.7 -59.6 -43.5 -13.5 -4.3 25.4 44 44 P L H 3< S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.730 111.8 48.2 -72.7 -20.6 -11.6 -3.8 22.1 45 45 P L H << S+ 0 0 0 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.879 112.1 49.2 -82.1 -42.5 -14.6 -2.1 20.6 46 46 P K H < S+ 0 0 52 -4,-2.5 8,-2.1 -5,-0.1 2,-0.4 0.885 117.3 40.0 -60.4 -42.2 -15.1 0.1 23.7 47 47 P Y < + 0 0 15 -4,-2.5 2,-0.4 6,-0.2 6,-0.1 -0.919 61.8 176.0-121.6 135.3 -11.5 1.3 23.8 48 48 P D > - 0 0 2 -2,-0.4 4,-1.7 1,-0.1 -3,-0.0 -0.944 22.9-148.8-143.4 116.6 -9.2 2.2 20.9 49 49 P T T 4 S+ 0 0 16 -2,-0.4 -1,-0.1 1,-0.2 4,-0.1 0.901 96.9 16.7 -50.5 -53.4 -5.7 3.5 21.2 50 50 P M T 4 S+ 0 0 59 1,-0.1 -1,-0.2 2,-0.1 189,-0.1 0.769 128.5 47.9 -93.8 -27.6 -5.6 5.7 18.1 51 51 P Q T 4 S- 0 0 30 1,-0.2 -2,-0.2 234,-0.0 -1,-0.1 0.443 102.6-126.5-102.7 -3.0 -9.3 6.0 17.1 52 52 P G < - 0 0 33 -4,-1.7 -1,-0.2 2,-0.1 -2,-0.1 0.083 43.1 -33.3 85.3 167.3 -10.7 7.0 20.5 53 53 P R - 0 0 117 -6,-0.1 -6,-0.2 1,-0.1 2,-0.1 -0.292 69.0-104.6 -58.4 139.0 -13.5 5.7 22.8 54 54 P F - 0 0 20 -8,-2.1 -1,-0.1 -9,-0.2 4,-0.1 -0.457 22.4-135.7 -66.7 137.4 -16.5 4.2 21.1 55 55 P T S S+ 0 0 130 -2,-0.1 -1,-0.1 -3,-0.1 -2,-0.1 0.828 76.6 65.3 -64.3 -37.0 -19.6 6.5 21.2 56 56 P G S S- 0 0 12 1,-0.1 2,-0.5 11,-0.0 -2,-0.1 0.011 88.1 -91.0 -86.1-174.4 -22.2 3.8 22.2 57 57 P E - 0 0 144 2,-0.0 11,-2.2 0, 0.0 2,-0.5 -0.867 35.7-165.1 -97.7 128.8 -23.0 1.5 25.0 58 58 P V E +D 67 0A 25 -2,-0.5 2,-0.4 9,-0.2 9,-0.2 -0.976 10.8 173.2-120.6 127.1 -21.5 -2.0 24.9 59 59 P E E -D 66 0A 107 7,-2.5 7,-4.1 -2,-0.5 2,-0.3 -0.994 28.9-128.5-136.1 123.5 -22.8 -4.8 27.1 60 60 P V E +D 65 0A 70 -2,-0.4 5,-0.3 5,-0.3 2,-0.2 -0.570 36.3 169.9 -71.0 127.3 -21.8 -8.5 27.0 61 61 P V E > -D 64 0A 32 3,-1.6 3,-1.5 -2,-0.3 2,-0.2 -0.776 46.0 -71.3-125.6 173.0 -24.7 -10.9 26.8 62 62 P D T 3 S+ 0 0 157 -2,-0.2 3,-0.1 1,-0.2 -1,-0.0 -0.514 123.1 17.7 -63.8 132.5 -25.2 -14.7 26.2 63 63 P G T 3 S- 0 0 40 -2,-0.2 11,-3.0 1,-0.2 2,-0.3 0.287 136.9 -40.5 85.5 -9.9 -24.3 -15.4 22.6 64 64 P G E < S-DE 61 73A 0 -3,-1.5 -3,-1.6 9,-0.3 2,-0.3 -0.850 83.3 -47.2 166.4-125.0 -22.5 -12.0 22.0 65 65 P F E -DE 60 72A 0 7,-2.3 7,-2.3 -5,-0.3 2,-0.5 -0.993 33.7-126.8-150.8 147.0 -22.8 -8.4 23.0 66 66 P R E -DE 59 71A 103 -7,-4.1 -7,-2.5 -2,-0.3 2,-0.5 -0.824 20.0-168.6 -91.9 127.4 -25.4 -5.6 23.1 67 67 P V E > S-DE 58 70A 0 3,-3.2 3,-1.7 -2,-0.5 -9,-0.2 -0.942 78.5 -24.3-120.9 109.0 -24.5 -2.3 21.3 68 68 P N T 3 S- 0 0 80 -11,-2.2 -1,-0.1 -2,-0.5 -10,-0.1 0.893 128.1 -51.7 53.0 43.7 -27.0 0.5 22.1 69 69 P G T 3 S+ 0 0 55 -12,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.018 114.6 121.5 84.8 -28.3 -29.6 -2.2 22.9 70 70 P K E < - 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0 0 95 -3,-1.5 -85,-0.3 -4,-0.2 -3,-0.2 0.864 32.6-163.8 50.3 46.4 -29.6 -14.6 6.6 90 90 P I < - 0 0 1 -5,-2.1 25,-1.0 1,-0.1 -85,-0.2 -0.357 20.1-175.7 -65.1 135.0 -26.3 -12.8 5.9 91 91 P D S S+ 0 0 34 -87,-2.9 25,-1.4 1,-0.3 2,-0.4 0.834 71.7 11.8 -96.2 -45.8 -26.2 -10.6 2.8 92 92 P V E -bf 5 116A 1 -88,-1.6 -86,-1.8 23,-0.2 2,-0.6 -0.998 61.7-150.6-137.0 134.7 -22.5 -9.6 2.8 93 93 P V E -bf 6 117A 0 23,-2.3 25,-3.2 -2,-0.4 2,-0.9 -0.918 12.1-147.4-100.3 120.8 -19.6 -10.9 4.8 94 94 P L E -bf 7 118A 0 -88,-2.6 -86,-2.9 -2,-0.6 2,-0.9 -0.826 17.9-154.1 -81.4 110.2 -16.8 -8.3 5.5 95 95 P E E +bf 8 119A 1 23,-2.9 25,-3.0 -2,-0.9 -86,-0.2 -0.784 34.5 149.6 -98.7 102.1 -13.8 -10.5 5.4 96 96 P C + 0 0 17 -88,-3.2 -82,-0.3 -2,-0.9 -85,-0.3 -0.068 38.6 99.6-125.3 27.5 -11.1 -8.9 7.6 97 97 P T S S- 0 0 45 -89,-0.2 -88,-0.1 -84,-0.1 -1,-0.1 0.781 79.2-132.8 -85.6 -28.6 -9.1 -11.8 9.0 98 98 P G S S+ 0 0 50 -3,-0.1 3,-0.3 -89,-0.0 -89,-0.1 0.380 90.0 89.9 84.5 1.7 -6.2 -11.6 6.5 99 99 P F S S+ 0 0 133 1,-0.2 -3,-0.0 6,-0.0 -4,-0.0 0.416 80.0 49.5-112.5 -1.5 -6.6 -15.3 6.2 100 100 P Y + 0 0 33 -5,-0.1 2,-2.0 6,-0.0 6,-0.2 -0.155 62.4 140.6-128.2 39.3 -9.1 -15.5 3.3 101 101 P T + 0 0 45 -3,-0.3 23,-1.8 4,-0.1 2,-0.3 -0.337 53.8 78.8 -84.2 58.6 -7.5 -13.1 0.8 102 102 P D B > S-i 124 0B 27 -2,-2.0 4,-2.5 21,-0.3 23,-0.2 -0.974 81.0-121.8-163.6 143.7 -8.4 -15.3 -2.2 103 103 P K H > S+ 0 0 59 21,-2.4 4,-1.2 -2,-0.3 -1,-0.1 0.957 110.9 42.5 -58.4 -53.9 -11.5 -16.1 -4.3 104 104 P D H 4 S+ 0 0 132 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.888 116.9 47.1 -63.3 -42.8 -11.7 -19.8 -3.7 105 105 P K H >4 S+ 0 0 117 1,-0.2 3,-2.1 2,-0.2 -1,-0.2 0.945 109.6 52.5 -63.2 -47.6 -10.9 -19.6 0.1 106 106 P A H >X S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.3 4,-0.6 0.734 90.0 80.1 -61.6 -23.7 -13.4 -16.8 0.6 107 107 P Q H 3X S+ 0 0 60 -4,-1.2 4,-2.3 1,-0.3 3,-0.4 0.741 72.3 80.7 -55.3 -24.0 -16.0 -19.0 -1.1 108 108 P A H <> S+ 0 0 14 -3,-2.1 4,-1.6 -4,-0.3 -1,-0.3 0.862 88.4 54.1 -48.1 -39.8 -16.2 -20.8 2.3 109 109 P H H <4>S+ 0 0 0 -3,-1.8 5,-2.2 2,-0.2 4,-0.3 0.881 106.7 49.8 -64.6 -42.4 -18.6 -17.9 3.5 110 110 P I H ><5S+ 0 0 37 -4,-0.6 3,-1.2 -3,-0.4 -2,-0.2 0.898 109.0 52.7 -60.9 -45.3 -20.9 -18.5 0.5 111 111 P E H 3<5S+ 0 0 129 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.860 106.3 54.7 -55.5 -37.6 -21.0 -22.2 1.3 112 112 P A T 3<5S- 0 0 11 -4,-1.6 -26,-1.6 -5,-0.2 -27,-0.4 0.519 133.0 -87.7 -79.4 -7.7 -22.0 -21.3 4.9 113 113 P G T < 5S+ 0 0 17 -3,-1.2 -3,-0.2 1,-0.3 -2,-0.1 0.257 81.6 132.1 124.0 -12.3 -25.0 -19.3 3.7 114 114 P A < - 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